SCHEMBL9054290

SCHEMBL9054290

CC(C)CCCCCC(=O)c1ccccc1O.[Na]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CTNNB1 P35222 1/20 0.42
ACHE P22303 1/20 0.41
SGMS1 Q86VZ5 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
DEGS1 O15121 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC1 Q13547 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10965657 0.97 CYP19A1 (0.49) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL8670350 0.85 CYP19A1 (0.59) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL8672674 0.85 CYP19A1 (0.59) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL8519711 0.85 CYP19A1 (0.59) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL1697048 0.80 MEN1 (0.41) HTTMAPTMEN1ALDH1A1KMT2A
SCHEMBL6691190 0.80 HTT (0.67) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL6695122 0.80 HTT (0.67) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL6696912 0.80 HTT (0.67) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL6694401 0.80 HTT (0.67) CYP19A1HTTMAPTMEN1ALDH1A1
SCHEMBL6690414 0.80 HTT (0.67) CYP19A1HTTMAPTMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131527-A1 FUCOIDANS AS GRAYING-INHIBITING AGENTS HENKEL AG & CO. KGAA (DE) 2023-07-13 WO disclosed
EP-3810742-B1 XYLOSE CARBAMATES AS SOIL RELEASE AGENTS HENKEL AG & CO KGAA (DE) 2022-08-03 EP disclosed
WO-1996001887-A1 POWDERED BLEACHING AND WASHING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-01-25 WO disclosed